- InChI
- InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
- InChI Key
- WHWDWIHXSPCOKZ-UHFFFAOYSA-N
- Formula
- C18H36O
- SMILES
- CC(=O)CCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 268.48
- CAS
- 502-69-2
- Other Names
-
- Hexahydrofarnesyl acetone
- 6,10,14-Trimethyl-2-pentadecanone
- 6,10,14-Trimethylpentadecan-2-one
- Perhydrofarnesyl acetone
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-11602.00; -11596.70] | kJ/mol |
|
| ΔcH°liquid | -11602.00 ± 5.20 | kJ/mol | NIST |
| ΔcH°liquid | -11596.70 | kJ/mol | NIST |
| ΔfG° | -35.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.27 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-631.40; -626.10] | kJ/mol |
|
| ΔfH°liquid | -626.10 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -631.40 ± 9.20 | kJ/mol | NIST |
| ΔfusH° | 33.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.24 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 6.015 | Crippen Calculated Property | |
| McVol | 266.050 | ml/mol | McGowan Calculated Property |
| Pc | 1223.41 | kPa | Joback Calculated Property |
| Inp | [1798.00; 1864.00] |
|
|
| Inp | 1846.70 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | Outlier 1798.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | Outlier 1801.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Inp | Outlier 1801.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | Outlier 1798.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1846.70 | NIST | |
| I | [2110.00; 2131.00] |
|
|
| I | 2125.00 | NIST | |
| I | 2129.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2131.00 | NIST | |
| I | Outlier 2110.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2131.00 | NIST | |
| I | 2114.00 | NIST | |
| Tboil | 663.79 | K | Joback Calculated Property |
| Tc | 837.19 | K | Joback Calculated Property |
| Tfus | 297.55 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.01; 864.76] | J/mol×K | [663.79; 837.19] |
|
| Cp,gas | 759.01 | J/mol×K | 663.79 | Joback Calculated Property |
| Cp,gas | 778.82 | J/mol×K | 692.69 | Joback Calculated Property |
| Cp,gas | 797.72 | J/mol×K | 721.59 | Joback Calculated Property |
| Cp,gas | 815.74 | J/mol×K | 750.49 | Joback Calculated Property |
| Cp,gas | 832.90 | J/mol×K | 779.39 | Joback Calculated Property |
| Cp,gas | 849.23 | J/mol×K | 808.29 | Joback Calculated Property |
| Cp,gas | 864.76 | J/mol×K | 837.19 | Joback Calculated Property |
| Cp,liquid | 593.30 | J/mol×K | 293.85 | NIST |
| η | [0.0000989; 0.0079383] | Pa×s | [297.55; 663.79] |
|
| η | 0.0079383 | Pa×s | 297.55 | Joback Calculated Property |
| η | 0.0020519 | Pa×s | 358.59 | Joback Calculated Property |
| η | 0.0007862 | Pa×s | 419.63 | Joback Calculated Property |
| η | 0.0003843 | Pa×s | 480.67 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 541.71 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 602.75 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 663.79 | Joback Calculated Property |
| ΔvapH | 56.00 ± 0.60 | kJ/mol | 451.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Pentadecanone, 6,10,14-trimethyl-.
Sources
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